TY - JOUR

T1 - Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method

AU - Shu, Yu Chen

AU - Chern, I. Liang

AU - Chang, Chien C.

N1 - Funding Information:
The work was supported in part by the National Science Council of the Republic of China under Contract Nos. NSC 100-2115-M-006-011-MY2 and NSC 102-2115-M-006-016 .

PY - 2014/10/15

Y1 - 2014/10/15

N2 - Most elliptic interface solvers become complicated for complex interface problems at those "exceptional points" where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule (1D63) which is double-helix shape and composed of hundreds of atoms.

AB - Most elliptic interface solvers become complicated for complex interface problems at those "exceptional points" where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule (1D63) which is double-helix shape and composed of hundreds of atoms.

UR - http://www.scopus.com/inward/record.url?scp=84905215650&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84905215650&partnerID=8YFLogxK

U2 - 10.1016/j.jcp.2014.07.017

DO - 10.1016/j.jcp.2014.07.017

M3 - Article

AN - SCOPUS:84905215650

VL - 275

SP - 642

EP - 661

JO - Journal of Computational Physics

JF - Journal of Computational Physics

SN - 0021-9991

ER -